SCHEMBL641008

SCHEMBL641008

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCN(C4CCN(C(=O)OC(C)(C)C)CC4)CC3)c3ccccc3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
STS P08842 4/20 0.41
MMP1 P03956 4/20 0.40
MMP3 P08254 4/20 0.40
MMP7 P09237 4/20 0.40
MMP9 P14780 4/20 0.40
MMP8 P22894 3/20 0.40
MMP13 P45452 3/20 0.40
MMP2 P08253 2/20 0.40
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
TGFBR1 P36897 1/20 0.38
CTSD P07339 1/20 0.38
CTSE P14091 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL641617 0.92 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2PPARGPPARA
SCHEMBL642038 0.90 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2PPARGPPARA
SCHEMBL640662 0.90 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2PPARGPPARA
SCHEMBL639958 0.90 ALDH1A1 (0.41) ALDH1A1KDM4EPPARGPPARA
SCHEMBL641894 0.87 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2PPARGPPARA
SCHEMBL640167 0.87 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2PSEN1PSEN2
SCHEMBL639871 0.86 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2PPARGPPARA
SCHEMBL639870 0.86 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2PPARGPPARA
SCHEMBL641743 0.86 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2PPARGPPARA
SCHEMBL640751 0.85 ALDH1A1 (0.39) ALDH1A1MMP1MMP9MMP13KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 US disclosed
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-07-05 US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 US disclosed
EP-2061769-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2009-05-27 EP disclosed
WO-2008025736-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2008-03-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ALDH1A1 586/4885STS 3083/4885MMP1 1827/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ALDH1A1 586/4885STS 3083/4885MMP1 1827/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.